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AB initio SCF calculation of the force constants and the dipole moment derivatives in methanol

✍ Scribed by Tae-Kyu Ha; R. Meyer; Hs.H. Günthard

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
212 KB
Volume
22
Category
Article
ISSN
0009-2614

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✦ Synopsis

Using a gaussian Lobe basis set nearly cquivalcnt to the double-zeta Sl;lter type orbital basis set, the principal force constants and rhe derivatives of the electric dipole moment are nIcuIated. The force constants are found to be in scltisktory agreement with csperimentol

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